methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate
TL;DR: methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate (CAS 500271-00-1) is a chemical compound with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate, methyl 5-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate, methyl 5-{[(4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}furan-2-carboxylate
| Molecular Formula | C11H14N4O3S |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.07867 |
| Heavy Atoms | 19 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 500271-00-1 |
|---|---|
| SMILES | CCC1=NN=C(N1N)SCC2=CC=C(O2)C(=O)OC |
| InChIKey | FSISNKIJFLVJCO-UHFFFAOYSA-N |
Product Overview
methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate (CAS 500271-00-1), with molecular formula C11H14N4O3S and molecular weight 282.08 g/mol. IUPAC: methyl 5-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate
Property Insights of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate?
The CAS number of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate is 500271-00-1.
What is the molecular formula of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate?
The molecular formula of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate is C11H14N4O3S.
What is the molecular weight of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate?
The molecular weight of methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate is 282.08 g/mol.
Where can I buy methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate?
You can request a quote for methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-(((4-amino-5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.